1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid

C17H14FNO3 — CID 58213856

IUPAC1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(CCOc3ccccc3F)c2c1
InChIInChI=1S/C17H14FNO3/c18-14-3-1-2-4-16(14)22-10-9-19-8-7-12-5-6-13(17(20)21)11-15(12)19/h1-8,11H,9-10H2,(H,20,21)
InChIKeyKKAXXOGQHVMHNS-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.56
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid

1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid (PubChem CID 58213856) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
PubChem CID58213856
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(CCOc3ccccc3F)c2c1
InChIInChI=1S/C17H14FNO3/c18-14-3-1-2-4-16(14)22-10-9-19-8-7-12-5-6-13(17(20)21)11-15(12)19/h1-8,11H,9-10H2,(H,20,21)
InChIKeyKKAXXOGQHVMHNS-UHFFFAOYSA-N
XLogP3.56
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid (CID 58213856) is 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid is O=C(O)c1ccc2ccn(CCOc3ccccc3F)c2c1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid?
The InChIKey is KKAXXOGQHVMHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-14-3-1-2-4-16(14)22-10-9-19-8-7-12-5-6-13(17(20)21)11-15(12)19/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid?
1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid has a molecular weight of 299.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid is sourced from PubChem (CID 58213856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).